α-Helix Mimetics

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α-Helix Mimetics

8882 compounds
For cherry-picking
Update: 2016-11

It is well known that α-helix mimetics are biologically active in a number of therapeutically significant protein-protein interactions (PPIs). The file contains all available α-Helix mimetics selected from our Signature & BioDesign Libraries. For more information, please download >>>

SL#030
α-Helix mimetics

80 compounds
Pre-Plated Set
Release: 2016

Using extensive computer modeling supported by in vitro experiments, ASINEX has created a number of structurally sophisticated, novel molecules based on the tetrahydropyrane scaffold that work as effective epitope mimetics of more than 20 various helical protein interfaces (e.g. ATG3/ATG12, Bcl-2, Aquaporin 2, Protein S100-A9).
Structures are available,"click here"and downlaod "File#1 Signature Libraries.

SL#032
Macrocyclic BH3 mimetics

80 compounds
Pre-Plated Set
Release: 2016

Extensive in vitro screening of the Asinex Macrocyclic collection has revealed a series of molecules showing a μM range of activity against anti-apototic proteins Bcl-2 and Mcl-1. In silico modeling studies suggest that some active macrocycles can adopt a-helix-mimetic conformations that effectively mimic the BH3-epitope of pro-apoptotic peptides (e.g. Bak, Bax).
Structures are available,"click here"and downlaod "File#1 Signature Libraries.

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PPI Library
(Non-Macrocyclic)

11870 compounds
For cherry-picking
Update: 2018-12

ASINEX has been working on the design and synthesis of protein-protein interaction (PPI) libraries since 2008. The file contains all available PPI (non-macrocyclic) compounds selected from our Signature & BioDesign Libraries. For more information, please download >>>

ASINEX has performed in-silico analyses of common structural futures of known MDM2 antagonists to build up a predictive pharmacophore model [1]. Several ɑ-helix mimetic scaffolds were selected as p53 backbone mimetics and p53 binding epitope mimetics [2,3]. The in vitro potency of compounds was confirmed in a fluorescence polarization assay, with the IC50s ranging from 1 to 10 µM.
Structures are available,"click here"and downlaod "File#1 Signature Libraries.

Extensive in vitro screening of the Asinex Macrocyclic collection has revealed a series of molecules showing a μM range of activity against anti-apototic proteins Bcl-2 and Mcl-1. In silico modeling studies suggest that some active macrocycles can adopt a-helix-mimetic conformations that effectively mimic the BH3-epitope of pro-apoptotic peptides (e.g. Bak, Bax).
Structures are available,"click here"and downlaod "File#1 Signature Libraries.

SL#033
PD1/PD-L1 inhibitors

80 compounds
Pre-Plated Set
Release: 2016

By utilizing a combination of scaffold hopping and structure-based design strategies ASINEX has developed a library of small molecules for IDO1 drug discovery. Selected compounds have shown significant IDO1 inhibitory activity in vitro as measured in the enzymatic biochemical assays.
Structures are available,"click here"and downlaod "File#1 Signature Libraries.

SL#034
Macrocyclic β-turn mimetics

80 compounds
Pre-Plated Set
Release: 2016

Asinex has created a library of partially peptidic macrocyclic beta-turn mimetics that are able to reproduce the orientation of key amino-acid side chains forming a b-turn-like motif.
Structures are available,"click here"and downlaod "File#1 Signature Libraries.

SL#054
Menin-MLL inhibitors (PPI)

80 compounds
Pre-Plated Set
Release: 2016

2D similarity search through ASINEX’s compound collection has resulted in several thienopyrimidine-based analogs, close analogs of MI-503. Such analogs could be interesting chemical probes for MLL-directed research.
Structures are available,"click here"and downlaod "File#1 Signature Libraries.

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Steroid Mimetics

1687 compounds
Release: 2017-01

The file contains ALL Steroid mimetics for cherry-picking.
For more information, please download >>>

Terpenoid Mimetics

5105 compounds
Release: 2017-01

ASINEX generateｓ a unique library of skeletally diverse (saturated fused-, spiro- systems) highly oxygen rich molecules. The synthetic strategy is based on biomimetic transformations of natural terpenoid products, such as NOPOL, NEROL and GERANIOL, into novel polyether derivatives. These cyclic molecules contain several versatile functionalities (OH, NH, COOH) which are amenable to further medicinal chemistry exploration. For more information, please download >>>

SL#059, 060
Oxo-SpiroPyrrolidines

80 compounds x 2
Pre-Plated Set
Release: 2016

Asinex has developed a versatile synthetic approach to skeletally diverse novel spiro scaffolds that are based on a rare combination of O- and N-containing cycles with additional synthetic handles. This allows the introduction of various peripheral fragments which, in turn, create derivatives with a very attractive physico-chemical profile.
Structures are available,"click here"and downlaod "File#1 Signature Libraries.

SL#093
Gem_diMe_Heterocycles

80 compounds x 1
Pre-Plated Set
Release: 2018

The gem-dimethyl moiety is one of the most commonly occurring structural elements found in many pharmacologically relevant natural products (e.g. taxanes, statins). This element is also successfully used by medicinal chemists for improving potency and pharmacokinetic properties of drug candidates. Three-dimensional character of this element in combination with adjacent O, N heteroatoms translates into a broad diversity of molecular shapes and can facilitate the formation of a bioactive conformation upon binding to a target protein.
Enrichment of the screening library with small molecules containing this important pharmacophore can contribute to the discovery of potent hits against multiple targets.
Structures are available,"click here"and downlaod "File#1 Signature Libraries.

SL#094
4-anilinopiperidines

80 compounds x 1
Pre-Plated Set
Release: 2018

4-Anilinopiperidine is a prominent pharmacophoric element recognizable among synthetic opioid analgesics. Structural variations around the 4-anilinopiperidine core greatly determine the structure–activity relationship properties such us target receptor selectivity, pharmacokinetic and safety profiles. The main structural changes may involve replacement of piperidine ring, replacement of phenyl ring and introduction of an additional substituent at the fourth position of piperidine ring.
Annulation of an additional saturated ring to the piperidine ring increases molecular rigidity leading to a series of novel octahydro‐1H‐pyrrolo[3,2‐c]pyridines. These derivatives can be potentially interesting for pharmaceutical research of novel analgesics and related applications.
Structures are available,"click here"and downlaod "File#1 Signature Libraries.

Medium-sized rings are very interesting class of molecular frameworks that can be found in many bioactive natural products and clinical candidates. Synthetic medium-sized scaffolds are underrepresented in commercial screening collections due to limited arsenal of convenient methods of their synthesis. Several efficient synthetic methods for the preparation of medium-sized rings have been reported: lactonization, lactamization, and ring-closing metathesis. However, conventional ring closing methods have their significant limitations.
Rearrangements and ring expansion reactions can introduce additional scaffold diversity and are compatible with many functional groups. A Cu-catalyzed coupling of β-lactam substrates with aryl bromides is a simple and convenient method for the preparation of 8- and 9-membered ring systems that constitute this library.
Structures are available,"click here"and downlaod "File#1 Signature Libraries.